methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate

C15H21NO3 — CID 110638931

IUPACmethyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(COc2cccc(C)c2)CC1
InChIInChI=1S/C15H21NO3/c1-12-4-3-5-14(10-12)19-11-13-6-8-16(9-7-13)15(17)18-2/h3-5,10,13H,6-9,11H2,1-2H3
InChIKeyVZHTYXYDUVJKKF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.85
Rot. Bonds3

About methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate

methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate (PubChem CID 110638931) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
PubChem CID110638931
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(COc2cccc(C)c2)CC1
InChIInChI=1S/C15H21NO3/c1-12-4-3-5-14(10-12)19-11-13-6-8-16(9-7-13)15(17)18-2/h3-5,10,13H,6-9,11H2,1-2H3
InChIKeyVZHTYXYDUVJKKF-UHFFFAOYSA-N
XLogP2.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide
CID 110638938
ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638519
2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110638923
methyl 4-[(2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110411471
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
[2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 95867203
[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 94979993
1-[4-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80678009
tert-butyl 4-[[3-(3-methoxy-3-oxopropyl)phenoxy]methyl]piperidine-1-carboxylate;cyclopropane
CID 144899236
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 49348967

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate (CID 110638931) is methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate is COC(=O)N1CCC(COc2cccc(C)c2)CC1.
What is the InChIKey of methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate?
The InChIKey is VZHTYXYDUVJKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-4-3-5-14(10-12)19-11-13-6-8-16(9-7-13)15(17)18-2/h3-5,10,13H,6-9,11H2,1-2H3.
What are the key properties of methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate?
methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methylphenoxy)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 110638931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).